3-cyclopropyl-1-(5-ethylthiophen-2-yl)butan-2-amine

C13H21NS — CID 115842635

IUPAC3-cyclopropyl-1-(5-ethylthiophen-2-yl)butan-2-amine
SMILESCCc1ccc(CC(N)C(C)C2CC2)s1
InChIInChI=1S/C13H21NS/c1-3-11-6-7-12(15-11)8-13(14)9(2)10-4-5-10/h6-7,9-10,13H,3-5,8,14H2,1-2H3
InChIKeyYBAFFLGFRLKOEG-UHFFFAOYSA-N
MW223.38 g/mol
LogP3.23
Rot. Bonds5

About 3-cyclopropyl-1-(5-ethylthiophen-2-yl)butan-2-amine

3-cyclopropyl-1-(5-ethylthiophen-2-yl)butan-2-amine (PubChem CID 115842635) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is 3-cyclopropyl-1-(5-ethylthiophen-2-yl)butan-2-amine.

Molecular Properties

Compound Name3-cyclopropyl-1-(5-ethylthiophen-2-yl)butan-2-amine
PubChem CID115842635
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC Name3-cyclopropyl-1-(5-ethylthiophen-2-yl)butan-2-amine
SMILESCCc1ccc(CC(N)C(C)C2CC2)s1
InChIInChI=1S/C13H21NS/c1-3-11-6-7-12(15-11)8-13(14)9(2)10-4-5-10/h6-7,9-10,13H,3-5,8,14H2,1-2H3
InChIKeyYBAFFLGFRLKOEG-UHFFFAOYSA-N
XLogP3.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-cyclopropyl-1-(5-ethylthiophen-2-yl)butan-2-yl]hydrazine
CID 105296365
1-cyclopentyl-3-(5-ethylthiophen-2-yl)propan-2-amine
CID 115842609
3-ethyl-1-(5-ethylthiophen-2-yl)pentan-2-amine
CID 115842663
1-(5-ethylthiophen-2-yl)-3-methylsulfonylbutan-2-amine
CID 115842626
N-ethyl-2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65423043
2-(5-ethylthiophen-2-yl)-1-(oxan-2-yl)ethanamine
CID 115842655
1-(4,4-dimethylcyclohexyl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 65391425
1-cyclobutyl-2-(5-ethylthiophen-2-yl)ethanol
CID 64986887
N-[1-cyclopropyl-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 62600030
2-(5-ethylthiophen-2-yl)-N-methyl-1-(4-propylcyclohexyl)ethanamine
CID 65425118
3-cyclopropyl-1-thiophen-3-ylbutan-2-amine
CID 83155210
cycloheptyl-(5-ethylthiophen-2-yl)methanamine
CID 62587234

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(5-ethylthiophen-2-yl)butan-2-amine?
The IUPAC name of 3-cyclopropyl-1-(5-ethylthiophen-2-yl)butan-2-amine (CID 115842635) is 3-cyclopropyl-1-(5-ethylthiophen-2-yl)butan-2-amine.
What is the SMILES notation for 3-cyclopropyl-1-(5-ethylthiophen-2-yl)butan-2-amine?
The canonical SMILES for 3-cyclopropyl-1-(5-ethylthiophen-2-yl)butan-2-amine is CCc1ccc(CC(N)C(C)C2CC2)s1.
What is the InChIKey of 3-cyclopropyl-1-(5-ethylthiophen-2-yl)butan-2-amine?
The InChIKey is YBAFFLGFRLKOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-3-11-6-7-12(15-11)8-13(14)9(2)10-4-5-10/h6-7,9-10,13H,3-5,8,14H2,1-2H3.
What are the key properties of 3-cyclopropyl-1-(5-ethylthiophen-2-yl)butan-2-amine?
3-cyclopropyl-1-(5-ethylthiophen-2-yl)butan-2-amine has a molecular weight of 223.38 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(5-ethylthiophen-2-yl)butan-2-amine is sourced from PubChem (CID 115842635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).